کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6619389 | 1424501 | 2018 | 28 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
An improved description of clathrate hydrates using classical density functional theory coupled with a simple lattice gas and van der Waals-Platteeuw theory
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
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چکیده انگلیسی
The present study refines a recently published model which described clathrate hydrate phase equilibria by coupling the statistical mechanical van der Waals-Platteeuw approach with a mean-field lattice gas in the framework of classical density functional theory. This model yielded analytical expressions for the cavity occupancy, and requires, in principle, knowledge of only two parameters: The potential energy well depth, and a hard-sphere radius for the gas-water interaction. The present contribution expands on this model by examining the utility of several modifications in order to improve its accuracy in describing the dissociation pressure curves of a dozen clathrate hydrates: Argon, carbon dioxide, carbon monoxide, ethane, ethene, hydrogen sulphide, krypton, methane, nitrogen, propane, sulphur dioxide, and 1,1,1,2-tetrafluoroethane. A modified model is demonstrated which produced a good fit to experimental data for the 12 gas hydrate systems considered in this study, with an absolute average temperature deviation of less than 0.7% in all cases.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 456, 25 January 2018, Pages 131-139
Journal: Fluid Phase Equilibria - Volume 456, 25 January 2018, Pages 131-139
نویسندگان
Matthew Lasich,